N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-(4-methoxy-3-morpholinosulfonyl-phenyl)-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-(4-methoxy-3-morpholinosulfonyl-phenyl)-2-[(4-nitrophenyl)thio]acetamide Formula: C19H21N3O7S2 MolecularWeight: 467.51594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H21N3O7S2/c1-28-17-7-2-14(12-18(17)31(26,27)21-8-10-29-11-9-21)20-19(23)13-30-16-5-3-15(4-6-16)22(24)25/h2-7,12H,8-11,13H2,1H3,(H,20,23)